KEGG   COMPOUND: C09264
Entry
C09264                      Compound                               
Name
Esculin;
Esculoside
Formula
C15H16O9
Exact mass
340.0794
Mol weight
340.28
Structure
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Coumarins
   Coumarins
    C09264  Esculin
Glycosides [BR:br08021]
 O-glycosides
  Coumarin glycosides
   C09264  Esculin
Other DBs
CAS: 531-75-9
PubChem: 11455
ChEBI: 4853
KNApSAcK: C00002472
PDB-CCD: 7OU[PDBj]
NIKKAJI: J6.981G
KCF data

ATOM        24
            1   C8y C    29.2815  -16.5546
            2   C8y C    29.2815  -15.1514
            3   C8x C    30.4742  -14.4499
            4   C8y C    31.7370  -15.1514
            5   C8y C    31.7370  -16.5546
            6   C8x C    30.4742  -17.2562
            7   O7x O    32.9297  -14.4499
            8   C8y C    34.1224  -15.1514
            9   C8x C    34.1224  -16.5546
            10  C8x C    32.9297  -17.2562
            11  O2a O    28.0888  -17.2562
            12  O6a O    35.3151  -14.4499
            13  O1a O    28.0888  -14.4499
            14  C1y C    26.8961  -16.5546
            15  C1y C    25.7034  -17.2562
            16  C1y C    24.4406  -16.5546
            17  C1y C    24.4406  -15.1514
            18  C1y C    25.6333  -14.4499
            19  O2x O    26.8961  -15.1514
            20  C1b C    25.6160  -13.0468
            21  O1a O    23.2313  -17.2662
            22  O1a O    23.2225  -14.4548
            23  O1a O    25.7207  -18.6592
            24  O1a O    24.4054  -12.3676
BOND        26
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    1  11 1
            13    8  12 2
            14    2  13 1
            15   14  11 1 #Up
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   14  19 1
            22   18  20 1 #Up
            23   16  21 1 #Up
            24   17  22 1 #Down
            25   15  23 1 #Down
            26   20  24 1

» Japanese version

  All links  
Chemical substance (8)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   KNApSAcK (1)   
   MASSBANK (2)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (8)   

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